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Computational modeling of amorphous silica. 4. Modeling the initial structures. Aerogel

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Abstract

A qualitative classification algorithm for constructing large clusters of aerogel model structures is used. According to this algorithm, aerogel is classified with polysilicas characterized by a packing of long chains of silicon-oxygen tetrahedra. A model of the aerogel structure is suggested, according to which aerogel is described as a set of cross-linked chains forming double or more complex ribbons. This model is in agreement with the conclusions drawn from analysis of the vibration spectra of its components.

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References

  1. V. D. Khavryuchenko and E. F. Sheka,Zh. Struk. Khim.,35, No. 2, 74–84 (1994).

    Google Scholar 

  2. V. D. Khavryuchenko and E. F. Sheka, ibid., No. 3, 16–26.

    Google Scholar 

  3. V. D. Khavryuchenko and E. F. Sheka, ibid., 27–34.

    Google Scholar 

  4. T. Clark,A Handbook of Computational Chemistry: A Practical Guide to Chemical Structure and Energy Calculations, Wiley, New York (1985).

    Google Scholar 

  5. V. A. Zaets,CLUSTER-Z1 Computational Chemistry Package [in Russian], Inst. Surf. Chem., Ukr. Acad. Sci. (1990).

  6. J. Fricke (ed.),Aerogels. Springer Proceedings in Physics, Vol. 6 (1986).

  7. C. J. Brinker, K. D. Keefer, D. W. Schaffer, et al.,J. Non-Cryst. Solids,48, 47–64 (1982).

    Article  CAS  Google Scholar 

  8. F. Liebau,Structural Chemistry of Silicates, Springer-Verlag, Berlin (1985).

    Google Scholar 

  9. I. V. Markichev, A. Yu. Muzychka, I. Natkanets, et al.,Zh. Struk. Khim.,34, No. 4, 29–38 (1993).

    CAS  Google Scholar 

  10. E. F. Sheka, I. V. Markichev, V. D. Khavryuchenko, et al., ibid.. 39–51.

    CAS  Google Scholar 

  11. L. A. Gribov,The Theory of Infrared Spectra of Polymers [in Russian], Nauka, Moscow (1977).

    Google Scholar 

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Authors
  1. V. D. Khavryuchenko
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  2. E. F. Sheka
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Additional information

Institute of Surface Chemistry, Ukrainian Academy of Sciences. Russian University of Peoples' Friendship. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 3, pp. 35–38, May–June, 1994.

Translated by O. Kharlamova

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Khavryuchenko, V.D., Sheka, E.F. Computational modeling of amorphous silica. 4. Modeling the initial structures. Aerogel. J Struct Chem 35, 305–308 (1994). https://doi.org/10.1007/BF02578281

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  • DOI: https://doi.org/10.1007/BF02578281

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